LAMMPS data file in real units via oxdna lj2real.py, date 2024-05-19

26 atoms
4 atom types
24 bonds
1 bond types
26 ellipsoids

-170 170 xlo xhi
-170 170 ylo yhi
-170 170 zlo zhi

Masses

1 315.8376
2 315.8376
3 315.8376
4 315.8376

Atoms # hybrid

1 1 -5.088903454828145 -4.022006630398617 0.979450832492054 1 1 1.0016462505133576 0 0 0
2 2 -3.073273348143933 -6.886121795405585 4.2637967191149935 1 1 1.0016462505133576 0 0 0
3 3 -1.6015249052848957 -7.954971258517993 7.983259491779774 1 1 1.0016462505133576 0 0 0
4 4 1.6004494372303046 -7.502206000462345 11.142183230976523 1 1 1.0016462505133576 0 0 0
5 1 3.9762269824284777 -5.378694720128274 14.092706034736517 1 1 1.0016462505133576 0 0 0
6 2 5.244098183685422 -2.0736999117014334 17.034635513902522 1 1 1.0016462505133576 0 0 0
7 3 4.66434547759629 0.9057195140116471 20.406471315843888 1 1 1.0016462505133576 0 0 0
8 4 3.3770131096003007 2.884613516099349 24.32212902640886 1 1 1.0016462505133576 0 0 0
9 1 0.7795485088930724 2.8596780468864993 27.93316866219941 1 1 1.0016462505133576 0 0 0
10 2 -2.220644638122167 1.9976911283301424 30.852747566202943 1 1 1.0016462505133576 0 0 0
11 3 -3.752108563283866 -0.36118973532266224 34.56060757623137 1 1 1.0016462505133576 0 0 0
12 4 -4.0981351277114095 -3.3336637232155737 38.03472139175804 1 1 1.0016462505133576 0 0 0
13 1 -2.580860807366316 -5.296690457458744 41.65233354663661 1 1 1.0016462505133576 0 0 0
14 4 3.11235736590125 3.9787921540654274 41.61858344700847 2 1 1.0016462505133576 0 0 0
15 1 4.972174868431865 1.22026293032667 39.080053199424356 2 1 1.0016462505133576 0 0 0
16 2 6.193349083696695 -1.843990009872412 35.70127548826449 2 1 1.0016462505133576 0 0 0
17 3 4.85045978654294 -5.086115266816092 32.287814957190825 2 1 1.0016462505133576 0 0 0
18 4 2.7413887948469777 -6.6667612407190076 28.945688671744993 2 1 1.0016462505133576 0 0 0
19 1 0.23801913694460985 -6.962572452460229 24.638294488589953 2 1 1.0016462505133576 0 0 0
20 2 -2.929295143505978 -5.793156995357843 22.155368377440084 2 1 1.0016462505133576 0 0 0
21 3 -4.874287161624311 -2.6868984302083723 19.162406167006097 2 1 1.0016462505133576 0 0 0
22 4 -4.466038023713098 -0.16009445500929992 14.199167217812603 2 1 1.0016462505133576 0 0 0
23 1 -3.805032901797115 1.3047989425274054 9.939919176722297 2 1 1.0016462505133576 0 0 0
24 2 -0.3645313828582167 2.0504253339486334 6.749830838323167 2 1 1.0016462505133576 0 0 0
25 3 2.8696234661228 1.1843850873648512 3.5779840008575166 2 1 1.0016462505133576 0 0 0
26 4 4.584052070339748 -2.4162961106383802 0.4178747538604132 2 1 1.0016462505133576 0 0 0

Velocities

1 -0.0007092826233374404 -0.0011683182237858898 0.0009345415878891811 -0.19711297351977997 0.3471662755040702 1.1876949496899232
2 0.0001692806579311005 0.001454411904318072 -0.0009132068521112497 0.40085230919108755 -0.18887849087800404 0.047091827325408245
3 0.00026721094548725233 -0.0018474107413693995 -7.33687581476124e-05 0.46267958346439353 1.0098887515959383 0.6393407481151142
4 0.0005530692647148845 6.276724836348722e-05 0.0011760622369354724 0.485473149019376 -1.016731064060453 0.4763136256195711
5 0.0010959077967915062 -0.002073578927849095 0.0009200279724368436 1.0623586979165884 1.065939836735458 -1.5037672467577814
6 -0.0011992989214254961 -0.0008200232774176946 -1.878586889584186e-05 0.2637939462292815 0.9503989065450423 -1.6260870297579495
7 0.0006177535901987009 0.000518919774167013 0.0003998839732602718 -0.6408171281169938 0.36348341926995353 -1.375803360797847
8 0.00016059142531900045 -0.0006450606532728585 0.0008669204672450051 -0.7477778258878353 0.47361246994539824 -0.5810846842200627
9 8.231216517048786e-05 6.015188190262039e-05 6.125792756154739e-05 -0.4607197796707098 0.5637456934375974 0.26087415190460156
10 -0.000500147138046807 -0.000463066044342822 0.000355851169196805 -0.36328886676626787 -0.43369687106567045 0.5273136714151697
11 0.0007757175683907118 -8.926233267161596e-05 -0.0008385947169209714 -0.4808110547195639 0.46086842856246785 -1.2339214306000716
12 -0.001263650191118318 0.00028219137594863816 -0.0014126973797773772 0.3775783079049196 -0.1807429862945671 2.0452684483124046
13 -3.2579866050976174e-05 0.0002635521160422669 0.0004611578260851882 -0.7261457161482728 -0.9102614938022983 -0.950223070000176
14 -0.0004505866261683952 0.0009690259297353478 -0.0013620790360894626 0.7053189033188233 0.2384556381419323 0.771670025066328
15 0.0011631309106043411 0.00044570587091719976 8.76640977124226e-05 0.6336939456886027 0.23680623944908769 0.16348552253269122
16 -6.374073980270027e-05 -0.0002931008886831666 0.001121388312515121 -0.22078626344978855 0.4828157321900567 -1.5155692478249987
17 -0.0010186027342478764 -0.002155869929612435 -0.0002602846290421834 -0.7045426361887308 -0.35130535920917716 -1.3344634305851248
18 0.0013185658893551267 2.047723112341404e-05 -0.0005696586063762746 -1.6060222297755182 0.09031942024852611 0.9877781291576422
19 -0.0014036986693625635 0.0012719382904391608 1.897600955961397e-05 0.9208051089916969 -1.6695360996503725 0.9680334678576618
20 -0.0017040889747209288 0.00025337668854442876 -0.0001691840039087206 -0.5820811149791364 -0.6584676155867104 -0.13895286467266474
21 -0.0012832301288169161 0.00023432762658239688 0.0004175391014650396 -0.368479743293301 -0.13070387294699928 -0.7972536298008709
22 0.000425865764618422 0.0005323528439718917 -0.00037084207215630813 -1.987484231007066 -0.8187640783546725 0.8567029127863278
23 -0.0004662057261624694 -0.0009522140435800978 0.0009625566807134454 0.07570418552326717 -1.5530387610102858 1.0623583182518839
24 -0.0008020353772621954 0.0006130763545177365 0.000256600283460346 -0.4133480645752746 -1.123177366593782 0.34895664453469977
25 -0.0007357778484794694 0.0004842720240985607 -0.0010361169830474496 0.23875324331203535 -0.5925750420871833 0.1484289925046781
26 -0.000301663155222858 0.001775092432198598 -0.0009822913284976214 0.0628202961121918 0.11750852756815655 -0.8762490863383418

Bonds

1 1 1 2
2 1 2 3
3 1 3 4
4 1 4 5
5 1 5 6
6 1 6 7
7 1 7 8
8 1 8 9
9 1 9 10
10 1 10 11
11 1 11 12
12 1 12 13
13 1 14 15
14 1 15 16
15 1 16 17
16 1 17 18
17 1 18 19
18 1 19 20
19 1 20 21
20 1 21 22
21 1 22 23
22 1 23 24
23 1 24 25
24 1 25 26

Ellipsoids

1 9.999999997766462 9.999999997766462 9.999999997766462 0.9970278940278272 0.0014876174054512252 0.0750547523448584 0.017319055267040844
2 9.999999997766462 9.999999997766462 9.999999997766462 0.9059171712388804 0.007913225291438054 0.04634256838354512 0.42083705406683053
3 9.999999997766462 9.999999997766462 9.999999997766462 0.7657426991864452 0.028071560533125216 0.13224385975981257 0.6287779160305484
4 9.999999997766462 9.999999997766462 9.999999997766462 0.5238981696613685 0.0516703526741727 0.1609645534282743 0.8348360887142046
5 9.999999997766462 9.999999997766462 9.999999997766462 0.30973290897949424 0.0750672191209306 0.23962885621884192 0.9170651279902646
6 9.999999997766462 9.999999997766462 9.999999997766462 -0.050269263744563454 0.08142241031464711 0.09584085715741358 0.9907865170259763
7 9.999999997766462 9.999999997766462 9.999999997766462 -0.3805122714271814 0.08965734720629535 0.057827749665601925 0.9186010683391725
8 9.999999997766462 9.999999997766462 9.999999997766462 -0.6066322463100545 0.015286960797006149 0.035984536832974555 0.7940206166563465
9 9.999999997766462 9.999999997766462 9.999999997766462 0.771660293819677 0.02607541526374929 -0.08047223278265907 -0.6303845520092687
10 9.999999997766462 9.999999997766462 9.999999997766462 0.9119628434851113 0.03686258000931541 -0.11017000132786052 -0.3934812487336936
11 9.999999997766462 9.999999997766462 9.999999997766462 0.9917294290821066 0.05835078551401739 -0.08073737536574405 -0.08092837290732445
12 9.999999997766462 9.999999997766462 9.999999997766462 0.9763527785523285 0.06753089597617556 0.004847281702108697 0.205307899901351
13 9.999999997766462 9.999999997766462 9.999999997766462 0.8553397145502984 0.1399133966151149 0.07233200118835512 0.49354462388392356
14 9.999999997766462 9.999999997766462 9.999999997766462 0.014416326682630282 -0.533642571147991 0.8442695396252617 0.04718813669228716
15 9.999999997766462 9.999999997766462 9.999999997766462 0.14095892784917538 -0.2201285495070387 0.9406003462562982 -0.21666792788520955
16 9.999999997766462 9.999999997766462 9.999999997766462 0.07323967796304806 0.05035907488974361 0.963136526452943 -0.2539053850556888
17 9.999999997766462 9.999999997766462 9.999999997766462 0.030254986187638885 0.39195467212588947 0.9164794947567249 -0.07430684019611289
18 9.999999997766462 9.999999997766462 9.999999997766462 -0.03080283760241768 0.6526511470205414 0.7481495879677094 -0.11562810865943304
19 9.999999997766462 9.999999997766462 9.999999997766462 -0.09450197979153381 0.7469150592813072 0.6556128255138505 -0.0579576833217777
20 9.999999997766462 9.999999997766462 9.999999997766462 -0.12903334341475137 0.9222523214328698 0.3501336268694509 -0.10103214950765672
21 9.999999997766462 9.999999997766462 9.999999997766462 -0.0069954457806870336 0.9888131084284681 -0.09413955816471489 -0.11548785185859346
22 9.999999997766462 9.999999997766462 9.999999997766462 0.029336230851923526 0.9805894852440379 -0.19236800606724952 -0.02404573205262194
23 9.999999997766462 9.999999997766462 9.999999997766462 0.03080980270092377 0.872234086776475 -0.4869211139732921 0.03415088124407873
24 9.999999997766462 9.999999997766462 9.999999997766462 0.007237815450514786 0.690265186998662 -0.7210993183911308 0.05913847022922672
25 9.999999997766462 9.999999997766462 9.999999997766462 0.06694683426684143 -0.46894411325316443 0.8712038661029582 -0.12889283810247346
26 9.999999997766462 9.999999997766462 9.999999997766462 0.07581973147109407 -0.10215114654759445 0.9759556607577902 -0.17699451916228467
